SCHEMBL5011593

SCHEMBL5011593

O=C(c1cccc(F)c1)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
USP2 O75604 3/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
MGLL Q99685 1/20 0.60
ALDH1A1 P00352 7/20 0.60
MAOB P27338 1/20 0.57
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
GPX4 P36969 2/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5009483 0.96 USP2 (0.70) TSHRUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL31350890 0.88 USP2 (0.80) TSHRUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL4753326 0.88 USP2 (0.80) TSHRUSP2CYP3A4CYP1A2CYP2D6
SCHEMBL5010631 0.84 MGLL (0.62) SMN1; SMN2MGLLMAOBGPX4LMNA
SCHEMBL5014235 0.84 HSP90AA1 (0.64) MGLLMAOBGPX4
SCHEMBL5013970 0.81 GPX4 (0.54) MGLLGPX4
SCHEMBL20804546 0.81 SMN1; SMN2 (0.90) TSHRUSP2SMN1; SMN2HTTALDH1A1
SCHEMBL13503747 0.79 SMN1; SMN2 (0.70) TSHRUSP2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL31350963 0.79 MAOB (0.80) USP2ALDH1A1MAOBGPX4LMNA
SCHEMBL31350976 0.78 USP2 (0.55) TSHRUSP2CYP3A4CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306087-A1 Therapeutic Agents NLN, BDNF, GAP43 TSHR 1753/4885USP2 4186/4885CYP3A4 2910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.